1-(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one
Chemical Structure Depiction of
1-(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one
1-(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one
Compound characteristics
| Compound ID: | V005-2775 |
| Compound Name: | 1-(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)-3,5,5-trimethylhexan-1-one |
| Molecular Weight: | 471.09 |
| Molecular Formula: | C27 H39 Cl N4 O |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2ccc(cc2)[Cl])c(nc(C)n1)N1CCN(CC1)C(CC(C)CC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6164 |
| logD: | 6.5067 |
| logSw: | -6.2867 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.002 |
| InChI Key: | ULSYHGXZCCUXFK-LJQANCHMSA-N |